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ADSORPTION OF ACETYLENE ON APd–PbBIMETALLIC SURFACE — A THEORETICAL STUDY

Author

Listed:
  • R. M. FERULLO

    (Planta Piloto de Ingeniería Química (UNS-CONICET), 12 de Octubre 1842, 8000 Bahía Blanca, Argentina;
    Laboratoire d'Etudes de la Réactivité Catalytique, des Surfaces et Interfaces, 4 rue Blaise Pascal, 67070 Strasbourg, France)

  • R. TOUROUDE

    (Laboratoire d'Etudes de la Réactivité Catalytique, des Surfaces et Interfaces, 4 rue Blaise Pascal, 67070 Strasbourg, France)

  • N. J. CASTELLANI

    (Planta Piloto de Ingeniería Química (UNS-CONICET), 12 de Octubre 1842, 8000 Bahía Blanca, Argentina;
    Departamento de Física, Unversidad Nacional del Sur, Av Alem 1253, 8000 Bahía Blanca, Argentina;)

Abstract

A semiempirical molecular orbital study of acetylene adsorption over Pd(111) andPd3Pb(111)has been performed. A strong negative effect of Pb atoms on Pd chemisorptive strength was observed in the alloy. This behavior is related to a lower hybridization between acetyleneπ*and Pd orbitals when this mental interacts with Pb. Moreover this negative effect of Pb is of a strong local character.

Suggested Citation

  • R. M. Ferullo & R. Touroude & N. J. Castellani, 1997. "ADSORPTION OF ACETYLENE ON APd–PbBIMETALLIC SURFACE — A THEORETICAL STUDY," Surface Review and Letters (SRL), World Scientific Publishing Co. Pte. Ltd., vol. 4(04), pages 621-628.
    • Handle: RePEc:wsi:srlxxx:v:04:y:1997:i:04:n:s0218625x97000614
    DOI: 10.1142/S0218625X97000614
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